==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-SEP-09 3JW9 . COMPND 2 MOLECULE: METHIONINE GAMMA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR S.V.REVTOVISH,A.D.NIKULIN,E.A.MOROZOVA,T.V.DEMIDKINA . 397 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 1 3 2 2 1 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A S 0 0 140 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-141.6 -25.1 4.8 19.3 2 3 A D > - 0 0 86 1,-0.1 3,-2.2 13,-0.0 4,-0.4 -0.987 360.0-135.9-125.2 128.0 -23.1 8.0 19.0 3 4 A C G > S+ 0 0 54 -2,-0.4 3,-1.2 1,-0.3 12,-0.1 0.853 102.0 58.8 -38.9 -48.8 -19.3 8.2 18.6 4 5 A R G 3 S+ 0 0 109 1,-0.2 -1,-0.3 -3,-0.1 7,-0.1 0.477 93.3 66.3 -74.7 -1.1 -19.0 11.0 21.1 5 6 A T G < S+ 0 0 96 -3,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.623 82.8 85.6 -96.3 -13.7 -20.6 9.2 24.0 6 7 A Y S < S- 0 0 123 -3,-1.2 5,-0.0 -4,-0.4 9,-0.0 -0.292 88.3 -80.1 -85.7 171.2 -18.0 6.5 24.8 7 8 A G > - 0 0 46 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.185 47.9-104.0 -62.9 162.0 -14.8 6.5 26.8 8 9 A F H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.857 120.4 48.7 -65.0 -36.7 -11.7 8.0 25.3 9 10 A N H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 111.2 51.3 -67.1 -40.3 -10.0 4.7 24.6 10 11 A T H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.915 110.6 49.2 -60.6 -43.1 -13.2 3.4 23.0 11 12 A Q H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.910 105.5 56.9 -63.4 -44.1 -13.3 6.5 20.8 12 13 A I H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 116.4 36.7 -52.4 -45.1 -9.7 6.1 19.8 13 14 A V H < S+ 0 0 56 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.923 134.4 19.0 -72.8 -43.5 -10.6 2.7 18.5 14 15 A H H >< S+ 0 0 115 -4,-2.9 3,-2.2 -5,-0.2 -3,-0.2 0.755 84.3 113.0-107.4 -30.5 -14.1 3.3 17.1 15 16 A A T 3< S+ 0 0 2 -4,-2.2 56,-0.2 -5,-0.3 3,-0.1 -0.195 91.2 8.9 -57.4 134.8 -14.8 7.0 16.5 16 17 A G T 3 S+ 0 0 7 1,-0.2 2,-0.3 54,-0.2 -1,-0.3 0.342 116.4 90.3 83.2 -6.7 -15.2 7.9 12.8 17 18 A Q < + 0 0 27 -3,-2.2 -1,-0.2 53,-0.1 10,-0.1 -0.859 39.4 153.4-125.2 155.0 -15.2 4.3 11.7 18 19 A Q - 0 0 123 -2,-0.3 6,-0.0 8,-0.1 49,-0.0 -0.955 53.3 -67.7-164.3 165.7 -17.6 1.5 11.2 19 20 A P - 0 0 71 0, 0.0 7,-0.2 0, 0.0 6,-0.2 -0.313 66.1 -90.2 -58.4 143.9 -17.8 -1.7 9.1 20 21 A D > - 0 0 24 5,-2.7 4,-2.6 7,-0.3 3,-0.2 -0.345 33.2-138.0 -53.8 129.2 -18.1 -1.1 5.3 21 22 A P T 4 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.815 97.8 45.9 -63.0 -32.8 -21.8 -0.9 4.5 22 23 A S T 4 S+ 0 0 111 1,-0.1 -2,-0.1 3,-0.1 0, 0.0 0.794 133.3 9.6 -81.2 -29.6 -21.5 -2.9 1.3 23 24 A T T 4 S- 0 0 105 -3,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.541 89.5-119.0-129.7 -18.4 -19.4 -5.8 2.5 24 25 A G < + 0 0 47 -4,-2.6 -2,-0.0 1,-0.2 0, 0.0 0.483 49.4 169.9 81.0 3.6 -19.1 -5.6 6.3 25 26 A A - 0 0 41 -6,-0.2 -5,-2.7 1,-0.1 -1,-0.2 -0.235 25.7-152.6 -49.4 127.5 -15.3 -5.2 6.0 26 27 A L S S+ 0 0 145 -7,-0.2 -1,-0.1 -3,-0.1 -8,-0.1 0.947 74.9 70.1 -75.5 -49.8 -14.0 -4.3 9.4 27 28 A S S S- 0 0 67 1,-0.1 -7,-0.3 -8,-0.1 3,-0.1 -0.458 102.3-101.7 -64.3 138.3 -10.9 -2.4 8.4 28 29 A T - 0 0 10 -2,-0.1 -1,-0.1 223,-0.1 -2,-0.1 -0.472 46.9-114.6 -57.2 125.3 -11.8 0.9 6.8 29 30 A P - 0 0 41 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.304 20.8-116.0 -64.2 151.1 -11.3 0.2 3.1 30 31 A I - 0 0 68 1,-0.1 2,-2.2 2,-0.1 218,-0.1 -0.793 24.7-162.1 -87.4 100.5 -8.5 2.0 1.3 31 32 A F + 0 0 74 -2,-1.1 2,-2.1 216,-0.1 33,-0.2 -0.494 17.2 173.9 -81.7 69.5 -10.4 4.1 -1.2 32 33 A Q + 0 0 123 -2,-2.2 2,-0.3 215,-0.1 -1,-0.1 -0.545 32.6 121.8 -81.3 76.3 -7.2 4.7 -3.3 33 34 A T - 0 0 59 -2,-2.1 3,-0.1 1,-0.1 25,-0.1 -0.935 55.4-153.9-134.9 156.3 -9.1 6.5 -6.1 34 35 A S S S+ 0 0 79 -2,-0.3 24,-2.6 1,-0.1 25,-0.3 0.831 79.6 30.2 -94.4 -48.1 -8.9 9.8 -7.7 35 36 A T B -A 57 0A 74 22,-0.2 2,-0.4 23,-0.1 22,-0.2 -0.644 62.1-144.5-116.8 170.9 -12.5 10.1 -9.0 36 37 A F - 0 0 36 20,-1.3 2,-0.4 -2,-0.2 -3,-0.0 -0.960 21.6-125.2-131.6 145.0 -16.0 9.0 -8.1 37 38 A V - 0 0 123 -2,-0.4 2,-0.3 2,-0.0 18,-0.1 -0.741 14.7-142.9 -99.5 138.1 -18.7 8.0 -10.5 38 39 A F - 0 0 65 -2,-0.4 3,-0.1 1,-0.1 4,-0.0 -0.752 9.6-142.0 -96.4 145.5 -22.2 9.5 -10.5 39 40 A D S S- 0 0 146 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.725 82.8 -7.1 -76.0 -22.3 -25.3 7.4 -11.2 40 41 A S S > S- 0 0 52 1,-0.1 4,-2.0 -3,-0.0 -1,-0.2 -0.967 74.2 -97.1-161.8 170.1 -26.8 10.2 -13.2 41 42 A A H > S+ 0 0 79 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.904 123.5 52.7 -61.1 -43.0 -26.5 13.9 -14.2 42 43 A E H > S+ 0 0 140 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.915 107.6 50.8 -58.3 -46.2 -28.8 14.9 -11.4 43 44 A Q H > S+ 0 0 18 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.886 111.2 48.3 -62.6 -40.1 -26.8 13.0 -8.9 44 45 A G H X S+ 0 0 7 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.876 113.6 47.3 -66.7 -39.4 -23.6 14.7 -10.1 45 46 A A H X S+ 0 0 62 -4,-2.4 4,-1.6 2,-0.2 3,-0.2 0.945 107.3 55.7 -65.6 -49.6 -25.3 18.1 -9.9 46 47 A A H <>S+ 0 0 9 -4,-3.2 5,-2.2 1,-0.2 6,-0.7 0.862 109.7 47.3 -51.8 -40.2 -26.8 17.5 -6.4 47 48 A R H ><5S+ 0 0 43 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.849 108.8 52.2 -74.6 -35.9 -23.3 16.8 -5.0 48 49 A F H 3<5S+ 0 0 136 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 105.4 57.7 -69.7 -22.7 -21.6 19.8 -6.6 49 50 A A T 3<5S- 0 0 58 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.300 110.9-121.3 -89.2 10.0 -24.3 22.0 -5.1 50 51 A L T < 5S+ 0 0 129 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.924 86.5 116.9 44.9 46.8 -23.5 20.8 -1.6 51 52 A E < + 0 0 149 -5,-2.2 2,-0.3 1,-0.3 -4,-0.2 0.325 68.5 38.2-125.2 -3.9 -27.1 19.7 -1.7 52 53 A E S S- 0 0 88 -6,-0.7 -1,-0.3 -5,-0.2 2,-0.2 -0.982 83.5-116.1-148.9 142.3 -26.5 16.0 -1.4 53 54 A S + 0 0 111 -2,-0.3 2,-0.3 -3,-0.1 -6,-0.1 -0.571 65.3 86.2 -80.5 141.1 -24.0 14.0 0.6 54 55 A G S S- 0 0 41 -2,-0.2 2,-0.2 -7,-0.1 -2,-0.1 -0.901 70.0 -71.2 153.4 179.5 -21.5 11.9 -1.3 55 56 A Y + 0 0 68 -2,-0.3 7,-0.1 1,-0.1 3,-0.1 -0.636 30.7 168.5-108.7 162.3 -18.1 12.1 -3.0 56 57 A I - 0 0 29 1,-0.3 -20,-1.3 5,-0.3 2,-0.3 0.581 68.9 -8.9-132.1 -49.7 -16.8 13.8 -6.1 57 58 A Y B >> -A 35 0A 100 4,-0.2 4,-1.8 -22,-0.2 3,-1.5 -0.964 61.7-117.7-167.1 136.7 -13.0 13.8 -6.3 58 59 A T T 34 S+ 0 0 19 -24,-2.6 187,-0.1 -2,-0.3 -23,-0.1 0.786 109.5 60.9 -62.9 -31.0 -10.3 12.9 -3.8 59 60 A R T 34 S+ 0 0 92 -25,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.863 113.5 40.3 -60.3 -31.7 -8.7 16.3 -3.5 60 61 A L T <4 S- 0 0 35 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.839 135.4 -35.0 -83.0 -36.7 -12.1 17.6 -2.2 61 62 A G < - 0 0 16 -4,-1.8 -1,-0.3 183,-0.0 -5,-0.3 -0.930 50.1-163.4 176.8 158.6 -12.9 14.6 -0.1 62 63 A N > - 0 0 2 -2,-0.3 4,-3.0 -3,-0.1 5,-0.2 -0.982 30.0-122.5-160.4 140.2 -12.5 10.8 0.3 63 64 A P H > S+ 0 0 26 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.858 112.2 47.4 -60.3 -37.2 -14.2 8.1 2.4 64 65 A T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.956 116.1 42.8 -68.4 -49.4 -11.0 6.9 4.0 65 66 A T H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.860 108.8 60.3 -66.7 -33.5 -9.7 10.4 4.8 66 67 A D H X S+ 0 0 38 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.892 101.8 53.6 -59.1 -39.9 -13.2 11.3 6.0 67 68 A A H X S+ 0 0 6 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.934 110.2 46.8 -62.2 -45.8 -13.0 8.6 8.7 68 69 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.918 112.1 50.3 -59.3 -45.3 -9.7 10.0 9.9 69 70 A E H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.906 112.1 46.9 -63.0 -42.3 -11.0 13.5 10.0 70 71 A K H X S+ 0 0 104 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.907 111.2 51.7 -67.3 -41.6 -14.1 12.5 11.9 71 72 A K H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.957 112.0 44.8 -58.6 -51.8 -12.1 10.5 14.4 72 73 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 6,-0.2 0.844 109.9 55.7 -65.6 -32.9 -9.7 13.3 15.2 73 74 A A H X>S+ 0 0 1 -4,-1.9 5,-2.8 -5,-0.2 4,-0.5 0.941 110.2 46.6 -61.4 -45.8 -12.6 15.8 15.5 74 75 A V H ><5S+ 0 0 7 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.943 112.0 50.0 -59.0 -47.3 -14.1 13.5 18.1 75 76 A L H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.829 115.9 40.8 -66.1 -33.4 -10.8 13.1 20.0 76 77 A E H 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 120,-0.3 0.429 111.1-120.5 -89.9 -0.2 -10.2 16.8 20.1 77 78 A R T <<5 + 0 0 83 -3,-1.1 2,-0.2 -4,-0.5 -3,-0.2 0.894 67.9 136.5 57.1 42.9 -13.8 17.6 20.9 78 79 A G < - 0 0 7 -5,-2.8 -1,-0.2 -6,-0.2 147,-0.1 -0.698 63.2-119.1-111.2 169.8 -14.1 19.7 17.7 79 80 A E S S+ 0 0 101 145,-0.3 2,-0.3 -2,-0.2 146,-0.2 0.892 85.4 2.8 -76.3 -39.7 -16.9 19.8 15.2 80 81 A A E -B 224 0B 9 144,-2.2 144,-2.1 -7,-0.1 2,-0.3 -0.962 59.1-145.4-150.8 158.2 -15.0 18.8 12.0 81 82 A G E -B 223 0B 5 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.886 2.1-162.8-128.5 157.7 -11.6 17.7 10.8 82 83 A L E -B 222 0B 1 140,-2.1 140,-1.9 -2,-0.3 2,-0.2 -0.937 14.6-146.7-143.5 116.5 -9.5 18.2 7.6 83 84 A A E -B 221 0B 2 -2,-0.3 162,-0.4 138,-0.2 2,-0.3 -0.528 19.9-169.7 -82.9 150.9 -6.5 16.0 6.8 84 85 A T E -B 220 0B 0 136,-2.5 136,-1.9 160,-0.2 160,-0.3 -0.884 37.8-103.4-139.6 169.3 -3.5 17.4 4.9 85 86 A A S S- 0 0 44 158,-2.0 2,-0.3 -2,-0.3 159,-0.1 0.657 99.5 -8.8 -67.4 -20.3 -0.3 16.4 3.2 86 87 A S S > S- 0 0 24 157,-0.3 4,-1.9 133,-0.1 134,-0.4 -0.977 71.6 -98.7-167.1 165.9 1.8 17.4 6.2 87 88 A G H > S+ 0 0 0 132,-0.5 4,-2.2 -2,-0.3 5,-0.2 0.909 124.4 54.1 -60.1 -42.8 1.8 19.2 9.5 88 89 A I H > S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.942 106.8 50.4 -56.0 -47.9 3.1 22.3 7.7 89 90 A S H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.852 107.1 54.7 -61.3 -34.1 0.3 22.1 5.3 90 91 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.935 113.3 43.0 -60.9 -43.6 -2.2 21.9 8.2 91 92 A I H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.934 119.5 40.5 -67.5 -47.9 -0.6 25.1 9.6 92 93 A T H X S+ 0 0 16 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.881 112.3 53.7 -75.9 -37.6 -0.4 27.0 6.3 93 94 A T H X S+ 0 0 0 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.942 113.6 46.8 -57.9 -45.3 -3.8 25.9 5.0 94 95 A T H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.3 3,-0.3 0.968 118.2 38.3 -57.7 -56.6 -5.2 27.1 8.2 95 96 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.851 115.4 51.6 -71.7 -34.6 -3.4 30.5 8.3 96 97 A L H < S+ 0 0 35 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.707 110.5 51.3 -75.0 -19.9 -3.7 31.2 4.6 97 98 A T H < S+ 0 0 32 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.859 117.1 38.7 -77.6 -38.1 -7.4 30.5 4.8 98 99 A L H < S+ 0 0 42 -4,-1.7 2,-0.3 -5,-0.2 -2,-0.2 0.807 112.8 58.3 -82.3 -32.0 -7.8 32.9 7.7 99 100 A C < + 0 0 10 -4,-2.4 2,-0.3 -5,-0.1 29,-0.1 -0.753 51.9 173.9-113.3 148.7 -5.4 35.7 6.7 100 101 A Q > - 0 0 141 -2,-0.3 3,-2.7 27,-0.1 26,-0.0 -0.875 51.7 -51.4-137.1 173.0 -5.0 38.1 3.8 101 102 A Q T 3 S+ 0 0 160 -2,-0.3 27,-0.2 1,-0.3 26,-0.2 -0.137 126.1 25.9 -43.4 129.7 -2.8 41.1 2.9 102 103 A G T 3 S+ 0 0 45 25,-3.5 -1,-0.3 1,-0.4 26,-0.2 0.199 96.1 119.7 96.8 -16.2 -2.9 43.7 5.7 103 104 A D < - 0 0 14 -3,-2.7 26,-1.9 24,-0.1 -1,-0.4 -0.300 50.2-144.1 -78.4 168.8 -3.7 41.1 8.4 104 105 A H E -cd 129 149B 2 44,-1.7 46,-2.6 24,-0.2 47,-1.1 -0.961 8.5-159.8-138.6 147.2 -1.6 40.4 11.4 105 106 A I E -cd 130 151B 0 24,-2.3 26,-3.1 -2,-0.3 2,-0.6 -0.993 9.5-151.2-128.7 136.4 -0.6 37.4 13.5 106 107 A V E -cd 131 152B 0 45,-2.4 47,-2.9 -2,-0.4 2,-0.4 -0.944 29.3-179.1-100.9 121.0 0.8 37.2 17.0 107 108 A S E -cd 132 153B 0 24,-3.1 26,-2.4 -2,-0.6 47,-0.2 -0.934 31.6-111.9-124.1 143.2 2.9 34.1 17.3 108 109 A A E -c 133 0B 4 45,-2.6 26,-0.2 -2,-0.4 3,-0.1 -0.378 21.8-141.2 -57.4 146.9 4.9 32.4 20.1 109 110 A S S S+ 0 0 56 24,-2.3 2,-1.9 1,-0.2 -1,-0.1 0.820 90.5 74.3 -79.0 -35.1 8.7 32.6 19.3 110 111 A A S S+ 0 0 36 23,-0.4 2,-0.3 45,-0.1 45,-0.2 -0.523 75.9 123.3 -82.8 75.8 9.2 29.1 20.7 111 112 A I S S- 0 0 15 -2,-1.9 5,-0.1 47,-0.1 47,-0.1 -0.838 70.6 -63.5-131.2 167.4 7.7 27.2 17.8 112 113 A Y > - 0 0 14 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.194 51.3-121.8 -47.9 136.9 8.6 24.5 15.2 113 114 A G H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.870 108.7 47.3 -56.5 -46.6 11.4 25.7 13.0 114 115 A C H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 111.1 53.2 -67.7 -34.3 9.7 25.4 9.6 115 116 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 107.8 51.8 -61.0 -42.2 6.6 27.1 11.1 116 117 A H H X S+ 0 0 62 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.874 108.3 51.5 -64.0 -36.5 8.9 29.9 12.1 117 118 A A H X>S+ 0 0 45 -4,-2.0 4,-2.5 2,-0.2 5,-1.1 0.908 109.6 48.8 -65.9 -43.4 10.3 30.1 8.6 118 119 A F H <>S+ 0 0 23 -4,-2.1 5,-2.8 3,-0.2 4,-0.3 0.920 117.7 41.0 -61.5 -44.8 6.8 30.4 7.1 119 120 A L H <5S+ 0 0 0 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.858 119.7 44.1 -72.6 -37.2 5.8 33.1 9.5 120 121 A S H <5S+ 0 0 31 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.887 132.7 10.3 -76.2 -41.0 9.1 35.0 9.4 121 122 A H T X5S+ 0 0 143 -4,-2.5 4,-0.6 -5,-0.2 -3,-0.2 0.827 127.9 41.7-111.6 -44.9 9.8 35.0 5.7 122 123 A S H >>4XS+ 0 0 0 -5,-2.8 5,-2.1 1,-0.2 3,-1.7 0.916 105.9 53.2 -56.5 -47.7 3.9 35.5 5.3 124 125 A P H >45S+ 0 0 52 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.816 100.9 61.8 -59.5 -28.2 5.3 39.0 5.2 125 126 A K H <<5S+ 0 0 157 -4,-0.6 -2,-0.2 -3,-0.6 -3,-0.1 0.668 103.4 50.6 -74.8 -12.4 5.8 38.6 1.4 126 127 A F T <<5S- 0 0 101 -3,-1.7 -1,-0.3 -4,-0.6 -3,-0.1 0.194 126.7-101.3-102.4 13.8 2.0 38.2 1.1 127 128 A G T < 5S+ 0 0 24 -3,-1.6 -25,-3.5 1,-0.2 2,-0.7 0.641 85.2 127.6 78.6 14.4 1.4 41.3 3.1 128 129 A I < - 0 0 4 -5,-2.1 2,-0.2 -27,-0.2 -2,-0.2 -0.912 47.5-152.3-106.9 110.5 0.6 39.4 6.3 129 130 A N E -c 104 0B 80 -26,-1.9 -24,-2.3 -2,-0.7 2,-0.4 -0.557 6.6-159.0 -88.9 147.0 2.7 40.6 9.2 130 131 A V E -c 105 0B 24 -26,-0.2 2,-0.5 -2,-0.2 -24,-0.2 -0.984 5.9-159.4-129.4 130.8 3.7 38.5 12.2 131 132 A S E -c 106 0B 26 -26,-3.1 -24,-3.1 -2,-0.4 2,-0.4 -0.951 14.1-148.8-109.0 127.4 4.8 39.6 15.7 132 133 A F E +c 107 0B 64 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.808 24.1 166.2 -97.5 135.3 6.8 37.1 17.7 133 134 A V E -c 108 0B 11 -26,-2.4 -24,-2.3 -2,-0.4 2,-1.1 -0.866 47.7 -94.5-137.5 168.1 6.5 37.0 21.5 134 135 A D > - 0 0 62 -2,-0.3 3,-2.0 -26,-0.2 6,-0.3 -0.787 36.4-166.2 -85.4 100.9 7.4 34.9 24.5 135 136 A A T 3 S+ 0 0 4 -2,-1.1 31,-0.4 1,-0.3 -1,-0.2 0.568 80.1 75.6 -72.3 -9.3 4.0 33.1 24.8 136 137 A A T 3 S+ 0 0 35 1,-0.2 -1,-0.3 29,-0.1 3,-0.1 0.609 94.8 59.3 -70.6 -11.2 5.0 31.8 28.3 137 138 A K S X> S- 0 0 88 -3,-2.0 3,-2.3 1,-0.1 4,-0.9 -0.845 72.9-168.1-119.4 91.4 4.2 35.4 29.2 138 139 A P H 3> S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.720 84.0 66.4 -56.9 -23.3 0.6 36.1 28.3 139 140 A E H 3> S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.812 96.1 55.6 -67.6 -29.0 1.1 39.8 28.8 140 141 A E H <> S+ 0 0 72 -3,-2.3 4,-1.1 -6,-0.3 -1,-0.2 0.873 106.6 51.1 -69.4 -35.5 3.5 39.9 25.8 141 142 A I H >X S+ 0 0 1 -4,-0.9 4,-0.6 -7,-0.2 3,-0.6 0.953 111.5 46.9 -62.2 -50.3 0.7 38.4 23.7 142 143 A R H >< S+ 0 0 113 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.931 110.8 52.2 -56.2 -46.8 -1.7 41.0 24.8 143 144 A A H 3< S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 107.1 53.1 -65.5 -23.5 0.8 43.8 24.2 144 145 A A H << S+ 0 0 20 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.544 82.5 115.0 -90.7 -9.0 1.4 42.7 20.7 145 146 A M << - 0 0 19 -3,-1.3 7,-0.0 -4,-0.6 -40,-0.0 -0.364 43.5-174.5 -66.7 140.8 -2.2 42.6 19.6 146 147 A R > - 0 0 120 -2,-0.1 3,-1.5 31,-0.1 -42,-0.1 -0.829 43.4-103.2-128.3 166.0 -3.3 45.1 16.9 147 148 A P T 3 S+ 0 0 124 0, 0.0 -43,-0.1 0, 0.0 -2,-0.0 0.825 125.2 52.3 -57.7 -26.9 -6.6 46.1 15.3 148 149 A E T 3 S+ 0 0 87 -45,-0.1 -44,-1.7 -43,-0.0 2,-0.3 0.531 78.9 122.3 -86.0 -9.2 -5.4 43.9 12.4 149 150 A T E < +d 104 0B 6 -3,-1.5 -44,-0.2 -46,-0.2 3,-0.1 -0.391 25.2 164.4 -63.3 119.3 -4.6 40.8 14.4 150 151 A K E + 0 0 77 -46,-2.6 30,-2.4 -2,-0.3 2,-0.4 0.707 62.0 28.6-101.4 -29.8 -6.7 37.9 13.2 151 152 A V E -de 105 180B 0 -47,-1.1 -45,-2.4 28,-0.2 2,-0.5 -0.990 51.2-157.5-141.9 139.8 -4.8 35.0 14.9 152 153 A V E -de 106 181B 0 28,-2.7 30,-2.9 -2,-0.4 2,-0.5 -0.983 26.3-159.8-110.2 130.6 -2.7 34.2 17.9 153 154 A Y E +de 107 182B 0 -47,-2.9 -45,-2.6 -2,-0.5 2,-0.3 -0.951 17.1 162.6-122.0 125.7 -0.6 31.2 17.2 154 155 A I E - e 0 183B 0 28,-2.2 30,-2.8 -2,-0.5 2,-0.4 -0.958 24.8-154.8-139.5 155.7 1.0 28.9 19.9 155 156 A E E - e 0 184B 2 -2,-0.3 30,-0.1 -45,-0.2 3,-0.1 -0.981 22.0-142.7-121.2 144.0 2.6 25.5 20.5 156 157 A T S S+ 0 0 1 28,-1.0 32,-0.3 -2,-0.4 2,-0.2 -0.889 85.8 24.5-162.3 129.1 2.7 23.8 23.9 157 158 A P S S- 0 0 3 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.640 97.9-158.5 -59.7 160.1 4.8 22.2 25.1 158 159 A A B >> -H 163 0C 1 5,-2.4 4,-1.2 -2,-0.2 5,-0.6 -0.816 14.0 -78.9-113.2 151.5 7.3 24.0 22.9 159 160 A N T 45S+ 0 0 23 -2,-0.3 -4,-0.1 1,-0.2 2,-0.0 -0.508 91.9 18.9 -78.2 160.0 10.8 23.2 21.7 160 161 A P T 45S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 128,-0.1 -0.975 134.2 18.1 -94.3 -14.7 13.6 23.2 22.5 161 162 A T T 45S- 0 0 37 212,-0.0 -2,-0.2 126,-0.0 128,-0.1 0.099 97.2-114.7-107.2 20.7 13.2 23.3 26.3 162 163 A L T <5 + 0 0 2 -4,-1.2 -3,-0.2 1,-0.1 2,-0.0 0.814 51.3 170.5 55.5 37.3 9.6 22.1 26.6 163 164 A S B < -H 158 0C 32 -5,-0.6 -5,-2.4 -6,-0.1 2,-0.2 -0.339 24.6-127.6 -69.5 162.6 8.3 25.4 28.1 164 165 A L - 0 0 0 -7,-0.2 2,-0.4 -8,-0.1 -8,-0.1 -0.669 10.7-146.9-114.4 165.2 4.5 25.7 28.3 165 166 A V - 0 0 5 -2,-0.2 2,-1.3 -29,-0.0 -29,-0.1 -0.999 25.3-124.2-129.7 133.5 1.8 28.1 27.2 166 167 A D > - 0 0 40 -31,-0.4 4,-2.6 -2,-0.4 5,-0.2 -0.635 28.5-171.2 -77.8 95.9 -1.4 28.6 29.3 167 168 A I H > S+ 0 0 0 -2,-1.3 4,-2.8 1,-0.2 5,-0.2 0.914 79.3 48.3 -57.7 -50.1 -4.0 27.9 26.7 168 169 A E H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 114.7 46.0 -60.6 -43.2 -7.1 28.9 28.6 169 170 A T H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 114.5 47.1 -66.4 -43.9 -5.5 32.2 29.6 170 171 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.886 109.2 54.7 -66.2 -38.4 -4.2 33.0 26.1 171 172 A A H X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.921 106.7 51.8 -59.2 -44.4 -7.6 32.1 24.6 172 173 A G H X S+ 0 0 40 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.910 112.2 45.7 -58.6 -45.4 -9.3 34.6 26.9 173 174 A I H X S+ 0 0 35 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.935 113.3 49.1 -62.4 -48.8 -6.9 37.3 25.8 174 175 A A H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 3,-0.3 0.940 113.0 46.8 -57.9 -48.8 -7.2 36.5 22.1 175 176 A H H ><5S+ 0 0 75 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.888 106.3 56.8 -66.0 -39.7 -11.0 36.5 22.2 176 177 A Q H 3<5S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.866 110.4 46.6 -59.0 -33.0 -11.3 39.7 24.1 177 178 A Q T 3<5S- 0 0 79 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.259 122.9-107.2 -95.3 12.8 -9.3 41.3 21.4 178 179 A G T < 5S+ 0 0 66 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.707 77.0 124.2 76.6 22.6 -11.3 39.7 18.6 179 180 A A < - 0 0 5 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.747 58.4-117.4-112.1 161.9 -8.8 37.1 17.4 180 181 A L E -e 151 0B 61 -30,-2.4 -28,-2.7 -2,-0.3 2,-0.6 -0.684 21.6-134.9 -90.6 148.8 -8.8 33.4 17.0 181 182 A L E -e 152 0B 0 -2,-0.3 20,-2.1 18,-0.2 21,-1.8 -0.938 18.4-168.3-104.9 121.1 -6.4 31.1 19.0 182 183 A V E -ef 153 202B 0 -30,-2.9 -28,-2.2 -2,-0.6 2,-0.5 -0.938 5.4-165.6-108.5 128.1 -4.7 28.4 16.9 183 184 A V E -ef 154 203B 0 19,-2.6 21,-2.2 -2,-0.5 2,-0.9 -0.958 17.5-145.1-118.9 125.8 -2.9 25.8 18.9 184 185 A D E +ef 155 204B 2 -30,-2.8 -28,-1.0 -2,-0.5 3,-0.3 -0.797 21.6 177.9 -84.1 107.8 -0.4 23.3 17.5 185 186 A N >> + 0 0 0 19,-2.4 4,-2.4 -2,-0.9 3,-0.6 0.161 39.6 118.5 -99.4 17.2 -1.1 20.2 19.6 186 187 A T T 34 S+ 0 0 2 18,-0.4 24,-0.5 1,-0.2 -1,-0.2 0.878 70.1 54.0 -50.9 -49.0 1.4 17.9 17.9 187 188 A F T 34 S+ 0 0 5 -3,-0.3 123,-0.4 -30,-0.3 -1,-0.2 0.826 119.7 29.5 -61.4 -35.3 3.6 17.2 20.9 188 189 A M T <4 S- 0 0 5 -3,-0.6 4,-0.4 -32,-0.3 -1,-0.2 0.818 90.3-148.3 -96.5 -33.0 0.8 16.0 23.2 189 190 A S >X - 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